N,N-Dimethylproline
PubChem CID: 448301
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| Compound Synonyms | 1,1-DIMETHYL-PROLINIUM, N,N-dimethyl-L-prolinium, N,N-dimethylproline, 1,1-Dimethyl-L-prolinium, 8DQ7SQ4VA9, (2S)-2-carboxy-1,1-dimethylpyrrolidinium, 51705-67-0, UNII-8DQ7SQ4VA9, (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid, Pyrrolidinium, 2-carboxy-1,1-dimethyl-, (S)-, CHEBI:44813, 1sw1, 2b4m, Prestwick0_000622, Prestwick1_000622, Prestwick2_000622, Prestwick3_000622, BSPBio_000584, SCHEMBL578113, SPBio_002803, BPBio1_000644, s3771, AC-34740, SR-05000002246, SR-05000002246-2, Q27104541 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C7H14NO2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMUNUTVVOOHQPW-LURJTMIESA-O |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.085 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.032 |
| Compound Name | N,N-Dimethylproline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.102 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 144.102 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9200027999999998 |
| Inchi | InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1 |
| Smiles | C[N+]1(CCC[C@H]1C(=O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Leonurus Sibiricus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sabia Schumanniana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Stachys Tuberifera (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Urtica Cannabina (Plant) Rel Props:Source_db:cmaup_ingredients